2-methylpropyl 5-cyanobicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: 2-methylpropyl 5-cyanobicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: isobutyl 5-cyanobicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 5-cyano-5-bicyclo[2.2.1]hept-2-enecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-cyanobicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: 5-cyanobicyclo[2.2.1]hept-2-ene-5-carboxylic acid isobutyl ester Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1(CC2CC1C=C2)C#N

Isomeric SMILES

CC(C)COC(=O)C1(CC2CC1C=C2)C#N

InChI

InChI=1S/C13H17NO2/c1-9(2)7-16-12(15)13(8-14)6-10-3-4-11(13)5-10/h3-4,9-11H,5-7H2,1-2H3